Trestolon

Trestolon
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	3764-87-2^Y
ATC kod	none
PubChem	CID 9838899
ChemSpider	21106398^Y
UNII	40P3287I94^Y
Sinonimi	MENT; 7α-Methylnandrolone; 7α-methyl-19-nortestosterone; 17β-hydroxy-7α-methylestr-4-en-3-one
Hemijski podaci
Formula	C₁₉H₂₈O₂
Molarna masa	288,424
SMILES CC1CC2=CC(=O)CC[C@@H]2[C@H]3CC[C@@]4(C)C(O)CC[C@H]4[C@H]13
InChI InChI=1S/C19H28O2/c1-11-9-12-10-13(20)3-4-14(12)15-7-8-19(2)16(18(11)15)5-6-17(19)21/h10-11,14-18,21H,3-9H2,1-2H3/t11?,14-,15+,16-,17?,18+,19+/m0/s1^Y Key:YSGQGNQWBLYHPE-XOSPXEMYSA-N^Y

Trestolon je organsko jedinjenje, koje sadrži 19 atoma ugljenika i ima molekulsku masu od 288,424 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	2
Broj donora vodonika	1
Broj rotacionih veza	0
Particioni koeficijent^[1] (ALogP)	3,5
Rastvorljivost^[2] (logS, log(mol/L))	-4,2
Polarna površina^[3] (PSA, Å²)	37,3

^ Ghose, A.K.; Viswanadhan V.N. & Wendoloski, J.J. (1998). „Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragment Methods: An Analysis of AlogP and CLogP Methods”. J. Phys. Chem. A. 102: 3762—3772. doi:10.1021/jp980230o.
^ Tetko IV, Tanchuk VY, Kasheva TN, Villa AE (2001). „Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices”. Chem Inf. Comput. Sci. 41: 1488—1493. PMID 11749573. doi:10.1021/ci000392t.
^ Ertl P.; Rohde B.; Selzer P. (2000). „Fast calculation of molecular polar surface area as a sum of fragment based contributions and its application to the prediction of drug transport properties”. J. Med. Chem. 43: 3714—3717. PMID 11020286. doi:10.1021/jm000942e.

Hardman JG, Limbird LE, Gilman AG (2001). Goodman & Gilman's The Pharmacological Basis of Therapeutics (10. изд.). New York: McGraw-Hill. ISBN 0071354697. doi:10.1036/0071422803.
Thomas L. Lemke; David A. Williams, ур. (2007). Foye's Principles of Medicinal Chemistry (6. изд.). Baltimore: Lippincott Willams & Wilkins. ISBN 0781768799.